129599-90-2

Basic information

• Product Name: Acetic acid, fluoro(phenylsulfinyl)-, ethyl ester
• CAS NO: 129599-90-2
• Molecular Formula: C₁₀H₁₁FO₃S
• Molecular Weight: 230.26
• Mol File: 129599-90-2.mol

Chemical Properties

• Boiling Point: 360.1 °C at 760 mmHg
• Flash Point: 171.6 °C
• Density: 1.31 g/cm³
• CAS DataBase Reference: Acetic acid, fluoro(phenylsulfinyl)-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Acetic acid, fluoro(phenylsulfinyl)-, ethyl ester(129599-90-2)
• EPA Substance Registry System: Acetic acid, fluoro(phenylsulfinyl)-, ethyl ester(129599-90-2)

Safety Data

• Hazardous Substances Data: 129599-90-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Acetic acid, fluoro(phenylsulfinyl)-, ethyl ester is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its organofluorine nature contributes to the development of new drugs with improved properties, such as enhanced bioavailability and therapeutic efficacy.
Used in Agrochemical Industry:
In the agrochemical industry, Acetic acid, fluoro(phenylsulfinyl)-, ethyl ester serves as a key intermediate in the production of agrochemicals. Its incorporation into these compounds can lead to the development of more effective and targeted pesticides and other agricultural chemicals.
Safety Precautions:
It is crucial to handle Acetic acid, fluoro(phenylsulfinyl)-, ethyl ester with care due to its potential to cause irritation to the skin, eyes, and respiratory system upon exposure. Proper protective equipment should be used during its handling and storage. Additionally, it should be stored in a cool, dry place away from direct sunlight and sources of heat to prevent degradation or hazardous reactions.

Upstream product

• 106372-59-2 ethyl 2-fluoro-2-(phenylsulfanyl)acetate 
• 108-98-5 thiophenol 

Downstream Products

• 135986-84-4 (Z)-2-fluoro-4-phenyl-but-2-enoic acid ethyl ester 
• 135987-04-1 (Z)-2-Fluoro-but-2-enedioic acid 4-benzyl ester 1-ethyl ester 

Relevant articles and documents

Reactive resin facilitated preparation of an enantiopure fluorobicycloketone

A facile preparation of enantiopure ethyl (1S,SS,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylate 1 is described. The key feature of the synthesis involves copper-catalyzed enantioselective intramolecular cyclopropanation of a diazoketone to form enado-fluorocyclopropane 1 in a single operation. Removal of a problematic chloroketone impurity using a reactive resin treatment enabled a high throughput enantiopurity upgrade by chiral HPLC. The development of a scalable synthesis of 1 is presented, including details of the selection of catalyst and ligand optimization, incorporation of a reactive resin treatment and selection of chiral HPLC media and conditions.

Fused ring compounds, process for producing the same and use thereof

To provide a novel compound of the formula: [wherein A1 ix a 5 or 6-membered ring which may be substituted by a group not containing a cyclic group, A2 is an aromatic ring which may be substituted, X is a divalent group, Y is a nitrogen atom or a methine group, Z is an ethenylene which may be substituted or ethynylene, R is a heterocyclic group which may be substituted, provided that 3,4-dihydro-6-[3-(1H-imidazol-1-yl)-1-propenyl]-2(1H)-quinolone and 2-[3-[5-ethyl-6-methyl-2-(benzyloxy)-3-pyridyl]-1-propenyl]benzoxazole are excluded.], or a salt thereof which has steroid C17,20-lyase inhibitory activity, and is useful for preventing and treating mammals suffering from, for example, primary cancer of malignant tumor, its metastasis and recurrence thereof.

Ethyl phenylsulfinyl fluoroacetate, a new and versatile reagent for the preparation of α-fluoro-α,β-unsaturated carboxylic acid esters

The title compound 2 can be alkylated with a wide range of alkyl halides and Michael acceptors. Subsequent thermal elimination of phenyl sulfinic acid 3 leads to α-fluoro-α,β-unsaturated ethyl carboxylates 5 and 10, an important class of intermediates for fluorine containing biologically active compounds.